%chk=000005136.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005136

0 1
 S   -2.172500      -1.239800      -1.693700    
 O   0.8061000      -1.468000     -0.8455000    
 O  -7.8000002E-02  -3.098700       2.225100    
 O    2.884300      -3.375500       1.334500    
 O   -4.087200       2.791600      0.3692000    
 O   -4.568300       1.620300       2.270200    
 N    2.954000     -0.6058000     -0.3556000    
 N    4.790200      0.6465000     -0.5423000    
 N    1.313000       1.127800      9.4899997E-02
 N   -6.408800       1.482900     -0.4411000    
 N    2.346600       3.338200      0.1387000    
 N    4.688200       3.669000     -0.2279000    
 C  -0.1810000      -1.946900      8.3800003E-02
 C   0.5247000      -2.976400      0.9510000    
 C    1.911800      -2.381800       1.062100    
 C    2.110600      -1.799100     -0.3313000    
 C   -1.364600      -2.512200     -0.6806000    
 C   -3.180900     -0.5409000     -0.3669000    
 C    2.553800      0.6860000     -0.1596000    
 C    4.305500     -0.5771000     -0.5812000    
 C   -4.419900      0.1436000     -0.9381000    
 C   -3.451100      -2.316100      -2.381300    
 C    3.706300       1.446000     -0.2797000    
 C   -5.283900      0.7653000      0.1627000    
 C    3.571900       2.821600     -0.1209000    
 C    1.308600       2.472000      0.2291000    
 C   -4.579300       1.827100       1.024400    
 H  -0.5023000      -1.095700      0.6974000    
 H   0.5532000      -3.965700      0.4785000    
 H    1.965200      -1.620900       1.850000    
 H    2.565800      -2.521200      -1.020300    
 H   -1.010400      -3.273900      -1.385100    
 H   -2.087300      -2.985500     -8.8999998E-03
 H   -2.550800      0.1689000      0.1775000    
 H   -3.490400      -1.325300      0.3311000    
 H   0.4721000      -3.701700       2.753200    
 H    2.657800      -3.779500       2.189400    
 H    4.879900      -1.474800     -0.7653000    
 H   -5.050600     -0.5624000      -1.487700    
 H   -4.108900      0.9132000      -1.657600    
 H   -4.034900      -2.801200      -1.595100    
 H   -2.964700      -3.086300      -2.986800    
 H   -4.102700      -1.739000      -3.041100    
 H   -5.676000     -2.9300001E-02  0.8091000    
 H   0.3427000       2.919800      0.4373000    
 H   -6.940700      0.8476000      -1.035000    
 H   -7.051300       1.789700      0.2889000    
 H    5.603700       3.286000     -0.4214000    
 H    4.565000       4.665300     -0.1082000    


%chk=000005136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005136

0 1
S -1.463883 -2.554304 -3.409827
O 1.121809 -2.289890 -1.324361
O -1.224678 -2.822353 1.444951
O 1.865802 -3.014203 2.126882
O -2.607679 1.937946 1.459763
O -4.227828 3.151770 0.311608
N 2.643419 -0.691404 -0.309644
N 4.201818 0.863882 -0.979578
N 0.810723 0.871667 0.381022
N -5.239970 0.587597 -0.581438
N 1.447043 3.226391 0.063747
N 3.549348 3.883736 -0.787605
C -0.274731 -2.417746 -0.795989
C -0.037802 -2.996923 0.614010
C 1.188198 -2.211406 1.108470
C 2.026646 -2.015734 -0.189922
C -1.062778 -3.325693 -1.730975
C -2.393318 0.486842 1.818493
C 2.051347 0.569453 -0.107048
C 3.922222 -0.440636 -0.849292
C -3.355537 -0.291132 0.898037
C -3.181613 -1.863037 -3.051546
C 3.035542 1.507637 -0.519115
C -4.525863 0.697990 0.691079
C 2.689616 2.887015 -0.418420
C 0.591546 2.226704 0.429850
C -3.823893 2.071562 0.774226
H -0.729072 -1.410988 -0.716768
H 0.246433 -4.069194 0.542970
H 0.856333 -1.233536 1.504918
H 2.844114 -2.758795 -0.233807
H -0.478997 -4.236799 -1.947548
H -2.014786 -3.614034 -1.251603
H -1.331136 0.275746 1.629689
H -2.633787 0.380915 2.891241
H -1.043402 -3.237812 2.326079
H 2.478573 -2.443415 2.654227
H 4.590332 -1.254218 -1.126123
H -3.648076 -1.260666 1.329519
H -2.886807 -0.474601 -0.082807
H -3.157758 -1.061033 -2.298068
H -3.858461 -2.671810 -2.730325
H -3.541555 -1.445577 -4.005468
H -5.198867 0.654280 1.584017
H -0.387855 2.544429 0.800639
H -6.002464 -0.092941 -0.593891
H -5.503502 1.499141 -0.973080
H 4.467124 3.651406 -1.161491
H 3.242610 4.851473 -0.709798


